N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide

C21H24N4O3 — CID 126778674

IUPACN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
SMILESCOCC(C)n1ccc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1
InChIInChI=1S/C21H24N4O3/c1-15(14-27-2)25-11-9-20(23-25)22-21(26)24-10-8-17-12-18(28-19(17)13-24)16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,23,26)
InChIKeyWKKVACSDEGEWPA-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide

N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide (PubChem CID 126778674) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
PubChem CID126778674
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
SMILESCOCC(C)n1ccc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1
InChIInChI=1S/C21H24N4O3/c1-15(14-27-2)25-11-9-20(23-25)22-21(26)24-10-8-17-12-18(28-19(17)13-24)16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,23,26)
InChIKeyWKKVACSDEGEWPA-UHFFFAOYSA-N
XLogP3.94
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
CID 167914605
methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
CID 129359157
4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
CID 129470308
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108812671
(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 91643821
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122090813
2-amino-2-(oxan-4-yl)-1-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)ethanone
CID 120796270
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)butan-1-ol
CID 111630024
4-(2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carbonyl)-2H-phthalazin-1-one
CID 124609450
2-chloro-1-(2-phenyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)ethanone
CID 166408897
2-methoxy-N-[3-[5-(2-methylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]acetamide
CID 42784012
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
CID 99840336

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide (CID 126778674) is N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide is COCC(C)n1ccc(NC(=O)N2CCc3cc(-c4ccccc4)oc3C2)n1.
What is the InChIKey of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide?
The InChIKey is WKKVACSDEGEWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(14-27-2)25-11-9-20(23-25)22-21(26)24-10-8-17-12-18(28-19(17)13-24)16-6-4-3-5-7-16/h3-7,9,11-12,15H,8,10,13-14H2,1-2H3,(H,22,23,26).
What are the key properties of N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide?
N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 126778674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).